SCHEMBL6607995

SCHEMBL6607995

COc1cnc(C(C#N)=Cc2c(OC)ccc3ccccc23)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
EGFR P00533 1/20 0.37
IGF1R P08069 1/20 0.37
IGF2R P11717 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6607991 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6607729 0.87 PDE4B (0.44) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6607722 0.87 PDE4B (0.44) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6606109 0.83 MAPT (0.47) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6606116 0.83 MAPT (0.47) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6610551 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6610555 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6606614 0.82 PDE4B (0.43) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6606617 0.82 PDE4B (0.43) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6611535 0.80 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed